| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:49 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253502 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16N2O6 |
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| Molecular Mass | 332.1008 |
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| SMILES | Nc1ccccc1C=CC(=O)OC1C=C(C(=O)O)NC(C(=O)O)C1 |
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| InChI Key | WUSREHSFRMKZNP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylaminesenoate estersfatty acid estershydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary aminestetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidtricarboxylic acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundenoate estersecondary aliphatic amineazacycletetrahydropyridinesecondary aminefatty acid esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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